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(1S,2R,2'R,4R,5R) 7,7-dimethyl-1-[(2'-benzylamino-3'-tert-butyldimethylsiloxy)propylsulfinyl]methyl-bicyclo[2.2.1]heptan-2-ol

View entire compound with spectra: 1 MS (GC)

(1S,2R,2'R,4R,5R) 7,7-dimethyl-1-[(2'-benzylamino-3'-tert-butyldimethylsiloxy)propylsulfinyl]methyl-bicyclo[2.2.1]heptan-2-ol
SpectraBase Compound ID 9e6DTHl101C
InChI InChI=1S/C26H45NO3SSi/c1-24(2,3)32(6,7)30-17-22(27-16-20-11-9-8-10-12-20)18-31(29)19-26-14-13-21(15-23(26)28)25(26,4)5/h8-12,21-23,27-28H,13-19H2,1-7H3/t21-,22-,23-,26-,31?/m1/s1
InChIKey BNLVKYHGMJEWTR-UBLKSZSGSA-N
Mol Weight 479.8 g/mol
Molecular Formula C26H45NO3SSi
Exact Mass 479.288942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 31ZBbBruB0c
Name (1S,2R,2'R,4R,5R) 7,7-dimethyl-1-[(2'-benzylamino-3'-tert-butyldimethylsiloxy)propylsulfinyl]methyl-bicyclo[2.2.1]heptan-2-ol
Alternate Name(s) (1S,2R)-1-{[((2R)-2-(benzylamino)-3-{[tert-butyl(dimethyl)silyl]oxy}propyl)sulfinyl]methyl}-7,7-dimethylbicyclo[2.2.1]heptan-2-ol
CAS Registry Number 127891-61-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H45NO3SSi
InChI InChI=1S/C26H45NO3SSi/c1-24(2,3)32(6,7)30-17-22(27-16-20-11-9-8-10-12-20)18-31(29)19-26-14-13-21(15-23(26)28)25(26,4)5/h8-12,21-23,27-28H,13-19H2,1-7H3/t21-,22-,23-,26-,31?/m1/s1
InChIKey BNLVKYHGMJEWTR-UBLKSZSGSA-N
Molecular Weight 479.795 g/mol
SMILES O[C@@]1(C[C@@]2(C([C@@]1(CS(C[C@@](CO[Si](C(C)(C)C)(C)C)(NCc1ccccc1)[H])=O)CC2)(C)C)[H])[H]
SPLASH splash10-0059-0009700000-a91589740dd00dcffedd
Source of Spectrum F-45-7021-8
Wiley ID 1395000